6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C13H10ClF4N3 — CID 63729623

IUPAC6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H10ClF4N3/c1-2-8-11(14)19-6-20-12(8)21-7-3-4-10(15)9(5-7)13(16,17)18/h3-6H,2H2,1H3,(H,19,20,21)
InChIKeyASXFSLJQDJQGHD-UHFFFAOYSA-N
MW319.69 g/mol
LogP4.59
Rot. Bonds3

About 6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine

6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 63729623) has the molecular formula C13H10ClF4N3 and a molecular weight of 319.69 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID63729623
Molecular FormulaC13H10ClF4N3
Molecular Weight319.69 g/mol
Exact Mass319.05
IUPAC Name6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H10ClF4N3/c1-2-8-11(14)19-6-20-12(8)21-7-3-4-10(15)9(5-7)13(16,17)18/h3-6H,2H2,1H3,(H,19,20,21)
InChIKeyASXFSLJQDJQGHD-UHFFFAOYSA-N
XLogP4.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.69
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine
CID 63729794
6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63735246
6-chloro-N-(3,4-dimethylphenyl)-5-ethylpyrimidin-4-amine
CID 63735587
6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63729328
N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 113452357
N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 63735452
6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine
CID 63735092
3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 102750491
6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine
CID 83087255
6-chloro-5-ethyl-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine
CID 115564740
N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 81275227
6-chloro-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477599

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 63729623) is 6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine is CCc1c(Cl)ncnc1Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is ASXFSLJQDJQGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF4N3/c1-2-8-11(14)19-6-20-12(8)21-7-3-4-10(15)9(5-7)13(16,17)18/h3-6H,2H2,1H3,(H,19,20,21).
What are the key properties of 6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 319.69 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 63729623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).